Function-Guided Conditional Generation Using Protein Language Models with Adapters

Fuente: arXiv
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Main Authors: Yang, Jason, Bhatnagar, Aadyot, Ruffolo, Jeffrey A., Madani, Ali
Format: Preprint
Published: 2024
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author Yang, Jason
Bhatnagar, Aadyot
Ruffolo, Jeffrey A.
Madani, Ali
author_facet Yang, Jason
Bhatnagar, Aadyot
Ruffolo, Jeffrey A.
Madani, Ali
contents The conditional generation of proteins with desired functions is a key goal for generative models. Existing methods based on prompting of protein language models (PLMs) can generate proteins conditioned on a target functionality, such as a desired enzyme family. However, these methods are limited to simple, tokenized conditioning and have not been shown to generalize to unseen functions. In this study, we propose ProCALM (Protein Conditionally Adapted Language Model), an approach for the conditional generation of proteins using adapters to PLMs. While previous methods have used adapters for structure-conditioned generation from PLMs, our implementation of ProCALM involves finetuning ProGen2 to condition generation based on versatile representations of protein function-e.g. enzyme family, taxonomy, or natural language descriptions. ProCALM matches or exceeds the performance of existing methods at conditional sequence generation from target functions. Impressively, it can also generalize to rare and unseen functions. Overall, ProCALM is a flexible and computationally efficient approach, and we expect that it can be extended to a wide range of generative language models.
format Preprint
id arxiv_https___arxiv_org_abs_2410_03634
institution arXiv
publishDate 2024
record_format arxiv
spellingShingle Function-Guided Conditional Generation Using Protein Language Models with Adapters
Yang, Jason
Bhatnagar, Aadyot
Ruffolo, Jeffrey A.
Madani, Ali
Biomolecules
Machine Learning
The conditional generation of proteins with desired functions is a key goal for generative models. Existing methods based on prompting of protein language models (PLMs) can generate proteins conditioned on a target functionality, such as a desired enzyme family. However, these methods are limited to simple, tokenized conditioning and have not been shown to generalize to unseen functions. In this study, we propose ProCALM (Protein Conditionally Adapted Language Model), an approach for the conditional generation of proteins using adapters to PLMs. While previous methods have used adapters for structure-conditioned generation from PLMs, our implementation of ProCALM involves finetuning ProGen2 to condition generation based on versatile representations of protein function-e.g. enzyme family, taxonomy, or natural language descriptions. ProCALM matches or exceeds the performance of existing methods at conditional sequence generation from target functions. Impressively, it can also generalize to rare and unseen functions. Overall, ProCALM is a flexible and computationally efficient approach, and we expect that it can be extended to a wide range of generative language models.
title Function-Guided Conditional Generation Using Protein Language Models with Adapters
topic Biomolecules
Machine Learning
url https://arxiv.org/abs/2410.03634